Information card for entry 4130140

Structure parameters

• Formula: C54 H28 Cl4 F8 Ir2 N4 O6
• Calculated formula: C54 H28 Cl4 F8 Ir2 N4 O6
• SMILES: [n]12c3ccccc3oc1c1cc(F)cc(F)c1[Ir]132([n]2c4ccccc4oc2c2cc(F)cc(F)c32)O[Ir]23([n]4c5ccccc5oc4c4cc(F)cc(F)c24)([n]2c4ccccc4oc2c2cc(F)cc(F)c32)O1.ClCCl.ClCCl
• Title of publication: Diiridium Bimetallic Complexes Function as a Redox Switch To Directly Split Carbonate into Carbon Monoxide and Oxygen.
• Authors of publication: Chen, Tsun-Ren; Wu, Fang-Siou; Lee, Hsiu-Pen; Chen, Kelvin H.-C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 11
• Pages of publication: 3643 - 3646
• a: 14.2793 ± 0.0004 Å
• b: 16.5304 ± 0.0005 Å
• c: 23.6 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5570.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No